#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pbx s GLU 2 N 0.00 2.36 0.26 1.45 0.41 -1.26 -5.09 118.70 116.84 1pbx s GLU 2 Ca 0.00 -1.30 -0.30 0.00 -0.41 0.00 0.00 54.97 52.96 1pbx s GLU 2 Cb 0.00 -2.24 -0.13 0.00 -1.78 0.00 0.00 34.13 29.97 1pbx s GLU 2 CO 0.00 0.39 1.32 0.91 -0.49 0.00 0.00 175.26 177.39 1pbx n TRP 3 N -0.68 2.02 -4.06 1.61 5.03 -1.26 -5.04 117.44 115.06 1pbx n TRP 3 Ca -0.08 0.51 -0.24 0.00 3.03 0.00 0.00 57.50 60.73 1pbx n TRP 3 Cb 0.58 -2.41 -0.04 0.00 -1.03 0.00 0.00 31.31 28.40 1pbx n TRP 3 CO 0.00 0.00 0.00 0.95 -0.03 0.00 0.00 177.69 178.61 1pbx s THR 4 N -0.42 4.71 0.10 -0.99 -4.23 -1.26 -5.02 115.64 108.54 1pbx s THR 4 Ca 0.65 -1.11 -0.16 0.00 -1.18 0.00 0.00 61.69 59.88 1pbx s THR 4 Cb -0.65 -3.48 -0.05 0.00 1.34 0.00 0.00 72.50 69.65 1pbx s THR 4 CO 0.54 -0.21 1.52 0.44 -0.54 0.00 0.00 174.62 176.37 1pbx h ASP 5 N 1.90 0.60 -0.32 3.99 5.19 -1.99 -1.34 116.42 124.45 1pbx h ASP 5 Ca -0.49 -0.34 0.07 0.00 -0.62 0.00 0.00 57.03 55.66 1pbx h ASP 5 Cb 1.22 -0.16 -0.08 0.00 0.18 0.00 0.00 39.33 40.48 1pbx h ASP 5 CO 0.63 0.80 -0.23 0.50 -3.12 0.00 0.00 179.24 177.82 1pbx h LYS 6 N 0.39 -0.18 -0.84 3.56 1.63 -2.00 0.32 116.57 119.45 1pbx h LYS 6 Ca 0.09 0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 59.88 1pbx h LYS 6 Cb 0.51 0.04 -0.04 0.00 -0.60 0.00 0.00 32.23 32.14 1pbx h LYS 6 CO 0.02 -0.12 0.43 0.93 -3.45 0.00 0.00 179.45 177.27 1pbx h GLU 7 N -0.19 1.18 -0.61 1.90 5.08 -1.86 -2.37 114.58 117.71 1pbx h GLU 7 Ca 0.17 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 1pbx h GLU 7 Cb 0.45 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 1pbx h GLU 7 CO -0.44 0.88 0.36 0.00 -1.00 0.00 0.00 179.01 178.81 1pbx h ARG 8 N 1.18 0.84 0.71 2.33 3.08 -0.71 0.23 114.38 122.04 1pbx h ARG 8 Ca 0.29 -0.09 -0.03 0.00 0.07 0.00 0.00 59.98 60.22 1pbx h ARG 8 Cb 0.06 -0.17 0.01 0.00 0.08 0.00 0.00 29.97 29.95 1pbx h ARG 8 CO -0.04 0.62 -0.34 1.03 -1.07 0.00 0.00 179.97 180.17 1pbx h SER 9 N 0.83 -0.80 -0.15 7.04 0.87 -0.54 -0.69 113.55 120.11 1pbx h SER 9 Ca 0.22 0.02 0.05 0.00 -1.23 0.00 0.00 61.79 60.85 1pbx h SER 9 Cb 0.01 0.21 -0.06 0.00 -0.44 0.00 0.00 62.40 62.12 1pbx h SER 9 CO -0.04 -0.57 -0.22 0.40 -0.53 0.00 0.00 176.83 175.88 1pbx h ILE 10 N -0.96 0.46 -0.68 2.23 2.04 -1.31 0.28 117.51 119.56 1pbx h ILE 10 Ca -0.10 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.73 1pbx h ILE 10 Cb 0.73 0.46 -0.03 0.00 -0.74 0.00 0.00 36.82 37.24 1pbx h ILE 10 CO 0.16 0.00 0.29 0.40 0.00 0.00 0.00 178.15 179.00 1pbx h ILE 11 N -0.26 1.23 -0.19 -0.67 2.04 -0.52 0.13 117.51 119.27 1pbx h ILE 11 Ca 0.11 -0.70 -0.15 0.00 1.00 0.00 0.00 64.86 65.12 1pbx h ILE 11 Cb 0.42 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 36.89 1pbx h ILE 11 CO -0.31 0.28 -0.51 0.77 0.00 0.00 0.00 178.15 178.39 1pbx h SER 12 N 0.98 0.57 -0.06 1.72 4.64 -0.66 -2.42 113.55 118.31 1pbx h SER 12 Ca 0.23 -0.29 -0.00 0.00 -0.47 0.00 0.00 61.79 61.26 1pbx h SER 12 Cb 0.16 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 62.08 1pbx h SER 12 CO -0.02 0.98 0.04 -0.78 -0.87 0.00 0.00 176.83 176.17 1pbx h ASP 13 N 0.41 0.08 -0.30 4.97 3.58 0.22 -0.27 116.42 125.10 1pbx h ASP 13 Ca 0.02 -0.08 0.05 0.00 0.42 0.00 0.00 57.03 57.44 1pbx h ASP 13 Cb 1.04 -0.02 -0.04 0.00 1.72 0.00 0.00 39.33 42.02 1pbx h ASP 13 CO 0.09 0.13 0.02 0.40 -2.88 0.00 0.00 179.24 177.01 1pbx h ILE 14 N 0.02 0.81 0.00 2.25 2.04 -0.74 -1.71 117.51 120.19 1pbx h ILE 14 Ca 0.02 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.84 1pbx h ILE 14 Cb 0.07 0.68 0.00 0.00 -0.74 0.00 0.00 36.82 36.83 1pbx h ILE 14 CO -0.00 0.02 0.00 -0.26 0.00 0.00 0.00 178.15 177.91 1pbx h PHE 15 N 0.12 0.00 0.00 1.37 -1.00 -1.27 -2.68 116.94 113.48 1pbx h PHE 15 Ca 0.14 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.92 1pbx h PHE 15 Cb 0.18 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.74 1pbx h PHE 15 CO -0.20 0.00 -0.76 -1.13 -1.61 0.00 0.00 178.31 174.61 1pbx n SER 16 N -2.62 0.63 -0.69 2.17 3.41 -0.13 -3.65 113.62 112.74 1pbx n SER 16 Ca 0.02 -0.12 0.07 0.00 -0.26 0.00 0.00 58.87 58.58 1pbx n SER 16 Cb 0.28 0.45 0.13 0.00 -0.26 0.00 0.00 64.21 64.80 1pbx n SER 16 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1pbx n HIS 17 N -1.90 0.30 -2.93 7.33 8.25 -1.01 -5.00 115.22 120.26 1pbx n HIS 17 Ca 0.03 -0.26 -0.40 0.00 -0.26 0.00 0.00 57.72 56.84 1pbx n HIS 17 Cb 0.41 -0.01 -0.06 0.00 1.12 0.00 0.00 29.99 31.45 1pbx n HIS 17 CO 0.00 0.00 0.00 1.41 0.64 0.00 0.00 176.34 178.39 1pbx s MET 18 N -1.08 4.61 -0.52 -0.41 0.00 -1.03 -5.03 119.30 115.85 1pbx s MET 18 Ca 0.23 1.21 -0.15 0.00 0.00 0.00 0.00 55.69 56.98 1pbx s MET 18 Cb 0.13 -3.29 0.12 0.00 0.00 0.00 0.00 34.83 31.79 1pbx s MET 18 CO 0.19 0.49 0.45 0.34 0.00 0.00 0.00 175.02 176.49 1pbx s ASP 19 N -0.86 6.09 0.27 1.11 2.15 -1.26 -4.92 116.67 119.24 1pbx s ASP 19 Ca 0.38 -1.75 0.01 0.00 0.43 0.00 0.00 52.55 51.62 1pbx s ASP 19 Cb -0.23 -2.17 0.59 0.00 -0.30 0.00 0.00 42.92 40.82 1pbx s ASP 19 CO 0.27 -0.80 1.76 1.88 -0.17 0.00 0.00 175.17 178.11 1pbx h TYR 20 N 8.79 0.84 -0.41 -5.34 0.05 -1.97 0.90 116.97 119.83 1pbx h TYR 20 Ca -0.28 0.03 -0.04 0.00 0.05 0.00 0.00 58.73 58.49 1pbx h TYR 20 Cb 1.10 -0.24 -0.02 0.00 1.01 0.00 0.00 36.73 38.58 1pbx h TYR 20 CO 0.70 0.19 0.09 -0.44 -1.05 0.00 0.00 178.16 177.65 1pbx h ASP 21 N 0.65 0.57 0.01 3.88 5.19 -1.94 0.69 116.42 125.47 1pbx h ASP 21 Ca 0.50 -0.09 -0.32 0.00 -0.62 0.00 0.00 57.03 56.50 1pbx h ASP 21 Cb 0.73 -0.15 -0.04 0.00 0.18 0.00 0.00 39.33 40.05 1pbx h ASP 21 CO -0.37 0.58 -1.74 -0.67 -3.12 0.00 0.00 179.24 173.92 1pbx n ASP 22 N -4.31 1.92 -0.04 6.45 2.03 -0.63 -4.48 116.55 117.49 1pbx n ASP 22 Ca 0.03 0.35 -0.14 0.00 0.52 0.00 0.00 54.79 55.55 1pbx n ASP 22 Cb 0.21 -0.89 -0.08 0.00 -0.72 0.00 0.00 41.12 39.63 1pbx n ASP 22 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 1pbx h ILE 23 N -0.85 1.39 -0.03 5.18 1.08 -0.86 -3.18 117.51 120.24 1pbx h ILE 23 Ca -0.46 -1.43 0.04 0.00 -0.39 0.00 0.00 64.86 62.62 1pbx h ILE 23 Cb 1.49 2.10 -0.05 0.00 -3.07 0.00 0.00 36.82 37.29 1pbx h ILE 23 CO -0.23 0.41 -0.30 1.23 -0.69 0.00 0.00 178.15 178.56 1pbx h GLY 24 N -0.17 -0.46 0.69 5.37 0.00 -1.08 -1.44 103.07 105.99 1pbx h GLY 24 Ca 0.01 0.36 0.04 0.00 0.00 0.00 0.00 47.33 47.74 1pbx h GLY 24 CO 0.04 -0.22 0.10 -2.55 0.00 0.00 0.00 176.54 173.90 1pbx h PRO 25 N -0.43 0.22 -0.27 4.80 0.11 -1.74 -2.79 132.00 131.91 1pbx h PRO 25 Ca 0.07 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.16 1pbx h PRO 25 Cb 0.53 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.58 1pbx h PRO 25 CO -0.27 0.15 0.15 0.87 -0.21 0.00 0.00 178.00 178.68 1pbx h LYS 26 N 0.23 0.38 -0.10 1.05 1.57 -1.51 -1.35 116.57 116.84 1pbx h LYS 26 Ca 0.15 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1pbx h LYS 26 Cb 0.13 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.37 1pbx h LYS 26 CO -0.17 0.33 0.05 0.00 -0.57 0.00 0.00 179.45 179.09 1pbx h ALA 27 N 1.03 0.12 0.77 3.86 0.00 -1.14 -2.86 119.26 121.05 1pbx h ALA 27 Ca 0.10 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1pbx h ALA 27 Cb 0.06 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.82 1pbx h ALA 27 CO -0.02 -0.34 -0.37 1.25 0.00 0.00 0.00 179.25 179.78 1pbx h LEU 28 N 0.06 -0.88 -0.99 0.00 6.46 -1.54 -1.63 115.31 116.79 1pbx h LEU 28 Ca 0.03 0.02 0.14 0.00 -0.12 0.00 0.00 57.88 57.95 1pbx h LEU 28 Cb 0.08 0.23 -0.15 0.00 -0.73 0.00 0.00 40.66 40.09 1pbx h LEU 28 CO -0.01 -0.58 -0.44 -1.20 -0.62 0.00 0.00 178.44 175.59 1pbx n SER 29 N -5.51 -0.75 -0.33 1.25 7.64 -0.51 -1.16 113.62 114.25 1pbx n SER 29 Ca -0.14 1.74 -0.03 0.00 1.01 0.00 0.00 58.87 61.45 1pbx n SER 29 Cb 0.42 -0.35 0.12 0.00 -1.01 0.00 0.00 64.21 63.39 1pbx n SER 29 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 1pbx h ARG 30 N 0.00 1.23 -0.31 1.43 2.43 -1.48 -0.04 114.38 117.64 1pbx h ARG 30 Ca 0.29 -0.12 -0.03 0.00 -0.81 0.00 0.00 59.98 59.32 1pbx h ARG 30 Cb 0.54 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 29.83 1pbx h ARG 30 CO -0.97 0.87 0.09 0.00 -1.51 0.00 0.00 179.97 178.45 1pbx h LEU 32 N 0.34 0.13 0.01 0.00 3.38 -0.77 -1.92 115.31 116.48 1pbx h LEU 32 Ca 0.10 -0.03 -0.14 0.00 0.09 0.00 0.00 57.88 57.89 1pbx h LEU 32 Cb 0.27 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 1pbx h LEU 32 CO -0.00 0.38 -0.76 0.40 0.09 0.00 0.00 178.44 178.55 1pbx h ILE 33 N 0.13 1.29 0.00 1.22 2.04 -0.87 -3.30 117.51 118.02 1pbx h ILE 33 Ca 0.02 -2.27 -0.10 0.00 1.00 0.00 0.00 64.86 63.51 1pbx h ILE 33 Cb 0.50 2.75 -0.01 0.00 -0.74 0.00 0.00 36.82 39.31 1pbx h ILE 33 CO 0.03 0.47 -0.49 0.58 0.00 0.00 0.00 178.15 178.75 1pbx h VAL 34 N -0.93 1.25 -2.17 1.67 2.07 -0.41 -3.36 116.25 114.36 1pbx h VAL 34 Ca -0.20 -1.73 -0.58 0.00 0.82 0.00 0.00 66.70 65.01 1pbx h VAL 34 Cb 1.23 1.96 -0.40 0.00 -1.52 0.00 0.00 31.29 32.56 1pbx h VAL 34 CO -0.10 0.48 -0.91 -1.22 0.02 0.00 0.00 177.57 175.84 1pbx n TYR 35 N -3.81 0.93 0.31 1.57 4.01 -0.73 -5.01 117.16 114.44 1pbx n TYR 35 Ca -0.01 -3.75 0.10 0.00 -0.16 0.00 0.00 57.90 54.08 1pbx n TYR 35 Cb 0.53 -0.35 0.45 0.00 -0.31 0.00 0.00 39.34 39.66 1pbx n TYR 35 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1pbx n PRO 36 N 1.46 0.14 0.21 -0.72 -0.04 -1.24 -2.19 135.00 132.61 1pbx n PRO 36 Ca 0.25 0.47 0.05 0.00 -0.04 0.00 0.00 63.50 64.22 1pbx n PRO 36 Cb 0.48 -1.82 0.47 0.00 -0.04 0.00 0.00 33.50 32.59 1pbx n PRO 36 CO 0.00 0.00 0.00 0.11 -0.04 0.00 0.00 175.50 175.57 1pbx h TRP 37 N 0.00 0.00 -1.07 0.54 0.09 -1.93 -2.85 115.95 110.73 1pbx h TRP 37 Ca 0.00 0.00 0.29 0.00 0.09 0.00 0.00 58.89 59.27 1pbx h TRP 37 Cb 0.21 0.00 -0.08 0.00 0.08 0.00 0.00 29.16 29.37 1pbx h TRP 37 CO 0.00 0.24 0.72 1.15 0.09 0.00 0.00 178.44 180.63 1pbx h THR 38 N 0.00 0.49 0.00 0.12 2.02 -1.79 -1.45 112.91 112.30 1pbx h THR 38 Ca -0.00 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 67.09 1pbx h THR 38 Cb 0.43 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 67.04 1pbx h THR 38 CO 0.03 0.05 0.00 0.00 0.37 0.00 0.00 175.52 175.97 1pbx n GLN 39 N -4.50 0.10 -0.30 6.66 6.02 -1.07 -2.66 117.38 121.62 1pbx n GLN 39 Ca 0.25 0.51 -0.03 0.00 -0.01 0.00 0.00 57.00 57.73 1pbx n GLN 39 Cb 0.98 -1.76 0.12 0.00 1.02 0.00 0.00 30.24 30.61 1pbx n GLN 39 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 1pbx h ARG 40 N 0.00 1.18 0.00 -1.09 2.43 -1.49 -2.72 114.38 112.69 1pbx h ARG 40 Ca 0.00 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 59.04 1pbx h ARG 40 Cb 0.10 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.41 1pbx h ARG 40 CO 0.00 0.86 -0.16 0.45 -1.51 0.00 0.00 179.97 179.61 1pbx h HIS 41 N 1.19 0.00 -0.71 2.20 3.86 -1.73 -3.33 115.15 116.63 1pbx h HIS 41 Ca 0.30 0.00 -0.41 0.00 -1.16 0.00 0.00 60.37 59.10 1pbx h HIS 41 Cb 0.02 0.00 -0.24 0.00 1.06 0.00 0.00 27.41 28.25 1pbx h HIS 41 CO 0.01 0.00 0.25 1.19 0.86 0.00 0.00 177.93 180.24 1pbx n PHE 42 N -2.57 2.26 -0.11 2.45 3.72 -1.03 -4.79 117.46 117.40 1pbx n PHE 42 Ca 0.04 -1.99 -0.06 0.00 -0.05 0.00 0.00 57.45 55.39 1pbx n PHE 42 Cb 0.48 -0.79 0.02 0.00 -0.94 0.00 0.00 39.48 38.24 1pbx n PHE 42 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 1pbx h SER 43 N 1.28 0.16 0.00 4.37 0.02 -1.68 -1.48 113.55 116.22 1pbx h SER 43 Ca 0.44 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.43 1pbx h SER 43 Cb 1.91 0.02 0.00 0.00 0.14 0.00 0.00 62.40 64.46 1pbx h SER 43 CO 0.87 0.13 0.01 1.23 -1.14 0.00 0.00 176.83 177.92 1pbx h GLY 44 N 0.29 0.00 2.00 -3.77 0.00 -1.92 -2.98 103.07 96.69 1pbx h GLY 44 Ca 0.16 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.48 1pbx h GLY 44 CO -0.16 0.00 -0.06 0.74 0.00 0.00 0.00 176.54 177.06 1pbx h PHE 45 N 0.00 0.00 0.00 5.60 -1.00 -1.67 -3.49 116.94 116.39 1pbx h PHE 45 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1pbx h PHE 45 Cb 0.01 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.57 1pbx h PHE 45 CO 0.00 0.06 0.00 0.41 -1.61 0.00 0.00 178.31 177.17 1pbx n GLY 46 N -0.81 0.91 3.55 -1.45 0.00 -1.13 -4.78 105.19 101.48 1pbx n GLY 46 Ca -0.02 -1.31 -0.26 0.00 0.00 0.00 0.00 46.02 44.44 1pbx n GLY 46 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1pbx n ASN 47 N 0.90 2.02 -0.06 1.61 5.15 -1.26 -4.71 115.26 118.92 1pbx n ASN 47 Ca 0.00 -0.94 0.06 0.00 -0.60 0.00 0.00 54.58 53.10 1pbx n ASN 47 Cb 0.00 -1.60 0.08 0.00 -0.53 0.00 0.00 39.78 37.73 1pbx n ASN 47 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1pbx n LEU 48 N 17.04 2.11 -0.34 1.20 4.32 -1.26 -4.24 117.00 135.83 1pbx n LEU 48 Ca 0.42 -2.58 0.00 0.00 -0.02 0.00 0.00 56.01 53.84 1pbx n LEU 48 Cb 0.48 -0.26 0.05 0.00 -1.62 0.00 0.00 43.42 42.08 1pbx n LEU 48 CO 0.64 0.61 0.53 0.00 -1.22 0.00 0.00 177.39 177.95 1pbx n TYR 49 N -1.04 0.09 -3.61 -1.77 9.36 -1.26 -4.78 117.16 114.15 1pbx n TYR 49 Ca 0.10 1.09 -0.02 0.00 3.32 0.00 0.00 57.90 62.39 1pbx n TYR 49 Cb 0.50 -0.87 -0.00 0.00 -0.63 0.00 0.00 39.34 38.34 1pbx n TYR 49 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 1pbx n ASN 50 N -5.33 -0.15 -0.20 2.98 6.94 -1.26 -5.04 115.26 113.19 1pbx n ASN 50 Ca 0.10 -1.20 -0.01 0.00 -0.02 0.00 0.00 54.58 53.45 1pbx n ASN 50 Cb 0.37 0.28 0.22 0.00 -2.36 0.00 0.00 39.78 38.29 1pbx n ASN 50 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1pbx h ALA 51 N 1.51 1.38 0.00 -2.53 0.00 -1.99 -2.79 119.26 114.84 1pbx h ALA 51 Ca -0.03 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 1pbx h ALA 51 Cb 0.13 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1pbx h ALA 51 CO 0.04 0.52 -0.47 0.93 0.00 0.00 0.00 179.25 180.26 1pbx h GLU 52 N 0.98 0.00 -0.31 0.00 4.39 -1.97 -2.33 114.58 115.33 1pbx h GLU 52 Ca 0.25 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.90 1pbx h GLU 52 Cb -0.00 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 1pbx h GLU 52 CO -0.04 0.34 -0.01 0.00 -1.16 0.00 0.00 179.01 178.14 1pbx h ALA 53 N 1.63 0.42 -0.11 3.43 0.00 -1.85 -2.93 119.26 119.85 1pbx h ALA 53 Ca -0.02 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 1pbx h ALA 53 Cb 1.29 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 1pbx h ALA 53 CO 0.05 0.18 0.03 0.82 0.00 0.00 0.00 179.25 180.33 1pbx h ILE 54 N 0.35 1.20 -0.81 0.00 2.04 -1.48 -1.30 117.51 117.51 1pbx h ILE 54 Ca 0.09 -0.63 0.02 0.00 1.00 0.00 0.00 64.86 65.34 1pbx h ILE 54 Cb 0.46 1.40 -0.04 0.00 -0.74 0.00 0.00 36.82 37.90 1pbx h ILE 54 CO 0.02 0.18 0.54 0.40 0.00 0.00 0.00 178.15 179.29 1pbx h ILE 55 N -0.03 1.18 -0.01 -0.67 2.04 -1.42 -2.35 117.51 116.26 1pbx h ILE 55 Ca 0.04 -0.36 0.00 0.00 1.00 0.00 0.00 64.86 65.53 1pbx h ILE 55 Cb 0.26 0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.37 1pbx h ILE 55 CO 0.00 0.19 -0.46 0.61 0.00 0.00 0.00 178.15 178.49 1pbx n GLY 56 N -1.41 -0.67 3.66 5.37 0.00 -1.11 -4.93 105.19 106.10 1pbx n GLY 56 Ca 0.10 -0.47 -0.42 0.00 0.00 0.00 0.00 46.02 45.22 1pbx n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1pbx s ASN 57 N -2.68 6.64 0.35 1.61 3.84 -0.49 -4.87 114.94 119.34 1pbx s ASN 57 Ca 0.18 2.32 0.15 0.00 0.21 0.00 0.00 52.86 55.71 1pbx s ASN 57 Cb 0.18 -2.54 0.66 0.00 -0.55 0.00 0.00 41.25 39.00 1pbx s ASN 57 CO 0.62 -0.93 1.76 0.00 -2.79 0.00 0.00 177.10 175.76 1pbx h ALA 58 N 9.50 1.17 -0.63 1.71 0.00 -1.90 -2.46 119.26 126.64 1pbx h ALA 58 Ca -0.41 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.07 1pbx h ALA 58 Cb 1.19 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 1pbx h ALA 58 CO 0.95 0.53 0.23 -0.91 0.00 0.00 0.00 179.25 180.05 1pbx h ASN 59 N 0.00 0.86 -0.16 0.00 2.35 -1.89 -1.47 115.58 115.27 1pbx h ASN 59 Ca -0.00 -0.13 -0.21 0.00 -0.55 0.00 0.00 56.30 55.41 1pbx h ASN 59 Cb 0.82 -0.22 0.01 0.00 0.05 0.00 0.00 38.32 38.97 1pbx h ASN 59 CO 0.06 0.79 -0.72 0.58 -1.65 0.00 0.00 177.43 176.48 1pbx h VAL 60 N 0.92 1.29 0.31 2.81 2.07 -1.85 -2.36 116.25 119.44 1pbx h VAL 60 Ca 0.21 -1.93 -0.02 0.00 0.82 0.00 0.00 66.70 65.79 1pbx h VAL 60 Cb 0.21 1.98 0.00 0.00 -1.52 0.00 0.00 31.29 31.97 1pbx h VAL 60 CO -0.02 0.61 -0.15 0.00 0.02 0.00 0.00 177.57 178.03 1pbx h ALA 61 N 0.55 -0.42 -0.66 1.67 0.00 -1.14 -0.28 119.26 118.97 1pbx h ALA 61 Ca -0.05 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1pbx h ALA 61 Cb 1.35 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 19.27 1pbx h ALA 61 CO 0.15 -0.65 0.43 0.00 0.00 0.00 0.00 179.25 179.18 1pbx h ALA 62 N 0.04 1.51 0.00 0.00 0.00 -1.38 -1.57 119.26 117.86 1pbx h ALA 62 Ca -0.04 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 1pbx h ALA 62 Cb 0.43 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1pbx h ALA 62 CO 0.07 0.45 -0.47 1.25 0.00 0.00 0.00 179.25 180.54 1pbx h HIS 63 N 0.90 0.00 -0.52 0.00 6.17 -1.22 -2.92 115.15 117.57 1pbx h HIS 63 Ca 0.24 0.00 -0.12 0.00 0.71 0.00 0.00 60.37 61.21 1pbx h HIS 63 Cb -0.09 0.00 -0.02 0.00 2.52 0.00 0.00 27.41 29.82 1pbx h HIS 63 CO 0.00 0.47 -0.13 0.78 0.71 0.00 0.00 177.93 179.76 1pbx h GLY 64 N 2.80 1.09 0.95 5.26 0.00 -0.08 -2.17 103.07 110.91 1pbx h GLY 64 Ca -0.00 -0.90 0.02 0.00 0.00 0.00 0.00 47.33 46.44 1pbx h GLY 64 CO 0.06 0.82 0.59 -2.22 0.00 0.00 0.00 176.54 175.80 1pbx h ILE 65 N 0.87 1.19 0.00 2.60 2.04 -1.29 -1.97 117.51 120.96 1pbx h ILE 65 Ca 0.13 -0.41 -0.10 0.00 1.00 0.00 0.00 64.86 65.48 1pbx h ILE 65 Cb 0.70 -0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.68 1pbx h ILE 65 CO 0.05 0.22 -0.49 0.11 0.00 0.00 0.00 178.15 178.04 1pbx h LYS 66 N 1.18 0.00 -0.52 2.37 1.57 -1.37 -1.94 116.57 117.86 1pbx h LYS 66 Ca 0.34 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 59.03 1pbx h LYS 66 Cb -0.08 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 1pbx h LYS 66 CO -0.09 0.49 -0.06 0.28 -0.57 0.00 0.00 179.45 179.50 1pbx h VAL 67 N 0.00 1.26 -0.20 0.50 2.07 -0.69 -1.49 116.25 117.70 1pbx h VAL 67 Ca -0.00 -1.17 -0.03 0.00 0.82 0.00 0.00 66.70 66.32 1pbx h VAL 67 Cb 0.88 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 1pbx h VAL 67 CO 0.06 0.41 0.02 0.25 0.02 0.00 0.00 177.57 178.34 1pbx h LEU 68 N 0.85 0.32 -1.04 2.57 5.85 -1.36 -1.07 115.31 121.43 1pbx h LEU 68 Ca 0.15 -0.28 0.04 0.00 0.84 0.00 0.00 57.88 58.63 1pbx h LEU 68 Cb 0.58 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.47 1pbx h LEU 68 CO 0.04 0.52 0.64 0.45 -0.34 0.00 0.00 178.44 179.75 1pbx h HIS 69 N 0.11 1.20 0.00 1.25 3.86 -1.35 0.69 115.15 120.91 1pbx h HIS 69 Ca 0.06 0.03 -0.07 0.00 -1.16 0.00 0.00 60.37 59.23 1pbx h HIS 69 Cb 0.34 -0.40 -0.01 0.00 1.06 0.00 0.00 27.41 28.40 1pbx h HIS 69 CO 0.02 0.69 -0.32 0.78 0.86 0.00 0.00 177.93 179.96 1pbx h GLY 70 N 1.23 0.00 1.12 2.45 0.00 -0.75 -3.03 103.07 104.09 1pbx h GLY 70 Ca 0.39 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.55 1pbx h GLY 70 CO -0.12 0.00 -0.47 1.41 0.00 0.00 0.00 176.54 177.36 1pbx h LEU 71 N 0.00 0.97 -1.09 3.11 3.38 0.39 -3.20 115.31 118.87 1pbx h LEU 71 Ca -0.00 -0.51 0.20 0.00 0.09 0.00 0.00 57.88 57.66 1pbx h LEU 71 Cb 0.59 -0.28 -0.10 0.00 0.09 0.00 0.00 40.66 40.96 1pbx h LEU 71 CO 0.04 1.29 0.61 -0.78 0.09 0.00 0.00 178.44 179.69 1pbx h ASP 72 N 0.68 0.71 0.00 -0.43 3.58 -1.13 -1.07 116.42 118.76 1pbx h ASP 72 Ca 0.03 0.09 -0.07 0.00 0.42 0.00 0.00 57.03 57.51 1pbx h ASP 72 Cb 1.08 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 42.08 1pbx h ASP 72 CO 0.11 0.24 -0.17 0.03 -2.88 0.00 0.00 179.24 176.56 1pbx h ARG 73 N 0.69 0.33 0.00 0.28 3.08 -1.53 -1.68 114.38 115.54 1pbx h ARG 73 Ca 0.57 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 60.52 1pbx h ARG 73 Cb 1.00 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 31.01 1pbx h ARG 73 CO -0.36 0.50 -0.16 0.78 -1.07 0.00 0.00 179.97 179.66 1pbx h GLY 74 N 0.89 0.00 1.04 0.04 0.00 -1.34 -3.08 103.07 100.62 1pbx h GLY 74 Ca 0.06 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.27 1pbx h GLY 74 CO 0.03 0.00 -0.22 -2.08 0.00 0.00 0.00 176.54 174.28 1pbx h VAL 75 N 0.00 1.28 0.00 4.60 2.07 -0.82 -2.54 116.25 120.84 1pbx h VAL 75 Ca -0.00 -1.36 -0.02 0.00 0.82 0.00 0.00 66.70 66.13 1pbx h VAL 75 Cb 1.02 1.29 -0.00 0.00 -1.52 0.00 0.00 31.29 32.08 1pbx h VAL 75 CO 0.00 0.46 -0.11 0.11 0.02 0.00 0.00 177.57 178.05 1pbx h LYS 76 N 0.66 0.00 -0.73 1.57 1.57 -1.49 -3.33 116.57 114.82 1pbx h LYS 76 Ca 0.09 0.00 -0.43 0.00 -1.87 0.00 0.00 60.65 58.43 1pbx h LYS 76 Cb 0.78 0.00 -0.42 0.00 0.08 0.00 0.00 32.23 32.67 1pbx h LYS 76 CO 0.06 0.11 -0.94 0.09 -0.57 0.00 0.00 179.45 178.20 1pbx n ASN 77 N -3.33 3.52 0.14 0.86 3.02 -1.13 -4.98 115.26 113.36 1pbx n ASN 77 Ca -0.01 -3.08 0.19 0.00 -0.03 0.00 0.00 54.58 51.66 1pbx n ASN 77 Cb 0.31 -0.41 0.76 0.00 -0.61 0.00 0.00 39.78 39.83 1pbx n ASN 77 CO 0.00 0.00 0.00 0.24 -2.62 0.00 0.00 177.26 174.88 1pbx h MET 78 N 2.42 0.00 0.00 3.52 2.86 -1.58 0.12 114.93 122.27 1pbx h MET 78 Ca 0.16 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.80 1pbx h MET 78 Cb 1.37 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.03 1pbx h MET 78 CO 0.55 0.00 -0.88 -0.25 1.06 0.00 0.00 176.91 177.39 1pbx n ASP 79 N -3.57 0.64 -2.36 1.22 8.00 -1.26 -4.24 116.55 114.98 1pbx n ASP 79 Ca 0.05 -0.32 -0.19 0.00 0.71 0.00 0.00 54.79 55.04 1pbx n ASP 79 Cb 0.56 0.67 0.02 0.00 -0.02 0.00 0.00 41.12 42.34 1pbx n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1pbx n ASN 80 N -1.79 3.89 0.17 -2.24 5.15 0.42 -4.90 115.26 115.95 1pbx n ASN 80 Ca 0.03 -3.31 -0.14 0.00 -0.60 0.00 0.00 54.58 50.56 1pbx n ASN 80 Cb 0.40 -0.42 -0.07 0.00 -0.53 0.00 0.00 39.78 39.16 1pbx n ASN 80 CO 0.00 0.00 0.00 0.16 1.40 0.00 0.00 177.26 178.82 1pbx h ILE 81 N 3.00 0.62 -0.54 -1.44 -2.65 -1.71 -1.90 117.51 112.89 1pbx h ILE 81 Ca 0.21 0.00 0.00 0.00 1.03 0.00 0.00 64.86 66.10 1pbx h ILE 81 Cb 1.29 0.62 -0.03 0.00 -2.05 0.00 0.00 36.82 36.65 1pbx h ILE 81 CO 0.65 0.00 0.35 0.00 0.03 0.00 0.00 178.15 179.18 1pbx h ALA 82 N 0.27 0.68 -0.00 0.16 0.00 -1.92 -2.58 119.26 115.87 1pbx h ALA 82 Ca -0.02 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.72 1pbx h ALA 82 Cb 0.38 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1pbx h ALA 82 CO 0.01 0.14 -0.60 0.00 0.00 0.00 0.00 179.25 178.80 1pbx h ALA 83 N 1.19 1.01 -0.03 0.00 0.00 -1.91 -2.96 119.26 116.55 1pbx h ALA 83 Ca 0.20 -0.54 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 1pbx h ALA 83 Cb -0.06 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1pbx h ALA 83 CO -0.04 0.74 -0.00 1.15 0.00 0.00 0.00 179.25 181.10 1pbx h THR 84 N 0.01 1.02 -0.02 0.00 2.02 -1.09 -3.12 112.91 111.74 1pbx h THR 84 Ca -0.01 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 67.08 1pbx h THR 84 Cb 1.06 1.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.47 1pbx h THR 84 CO 0.08 0.03 -0.36 -1.22 0.37 0.00 0.00 175.52 174.42 1pbx n TYR 85 N -4.51 0.00 -0.33 3.16 4.01 -1.00 -4.65 117.16 113.85 1pbx n TYR 85 Ca -0.02 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.68 1pbx n TYR 85 Cb 0.11 -0.02 -0.01 0.00 -0.31 0.00 0.00 39.34 39.11 1pbx n TYR 85 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1pbx n ALA 86 N 0.06 -0.26 -0.06 -0.72 0.00 -1.18 0.09 120.51 118.45 1pbx n ALA 86 Ca 0.11 0.77 -0.10 0.00 0.00 0.00 0.00 53.44 54.22 1pbx n ALA 86 Cb 0.46 -0.27 -0.03 0.00 0.00 0.00 0.00 19.45 19.61 1pbx n ALA 86 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 1pbx h ASP 87 N 0.00 0.26 0.28 0.00 2.03 -1.83 -1.20 116.42 115.96 1pbx h ASP 87 Ca 0.23 -0.04 -0.01 0.00 -0.73 0.00 0.00 57.03 56.47 1pbx h ASP 87 Cb 0.43 -0.07 0.00 0.00 -0.83 0.00 0.00 39.33 38.87 1pbx h ASP 87 CO -0.80 0.23 -0.14 -0.07 -1.03 0.00 0.00 179.24 177.43 1pbx h LEU 88 N 0.28 -0.32 -0.37 0.15 4.07 -1.68 -1.20 115.31 116.23 1pbx h LEU 88 Ca 0.08 -0.08 0.05 0.00 0.08 0.00 0.00 57.88 58.00 1pbx h LEU 88 Cb 0.01 0.08 -0.08 0.00 1.08 0.00 0.00 40.66 41.75 1pbx h LEU 88 CO -0.02 -0.11 -0.56 -1.28 -1.08 0.00 0.00 178.44 175.39 1pbx h SER 89 N -0.52 -1.85 -0.44 -0.43 0.87 -0.23 0.61 113.55 111.57 1pbx h SER 89 Ca -0.04 0.24 0.06 0.00 -1.23 0.00 0.00 61.79 60.83 1pbx h SER 89 Cb 0.38 0.75 -0.06 0.00 -0.44 0.00 0.00 62.40 63.04 1pbx h SER 89 CO 0.06 -0.42 0.12 0.74 -0.53 0.00 0.00 176.83 176.80 1pbx h THR 90 N -0.42 0.80 -0.73 2.23 2.02 -1.23 0.80 112.91 116.38 1pbx h THR 90 Ca 0.07 -0.09 -0.05 0.00 0.77 0.00 0.00 66.41 67.11 1pbx h THR 90 Cb 0.61 0.52 -0.03 0.00 -1.74 0.00 0.00 68.15 67.51 1pbx h THR 90 CO -0.58 0.05 0.26 0.25 0.37 0.00 0.00 175.52 175.87 1pbx h LEU 91 N 0.26 1.02 0.11 2.58 5.85 -0.09 0.10 115.31 125.14 1pbx h LEU 91 Ca 0.21 -0.17 -0.24 0.00 0.84 0.00 0.00 57.88 58.53 1pbx h LEU 91 Cb 0.24 -0.27 0.02 0.00 0.37 0.00 0.00 40.66 41.03 1pbx h LEU 91 CO -0.25 0.92 -0.99 0.45 -0.34 0.00 0.00 178.44 178.23 1pbx h HIS 92 N 1.07 0.78 0.00 1.25 3.86 -0.42 -1.54 115.15 120.14 1pbx h HIS 92 Ca 0.24 -0.51 -0.18 0.00 -1.16 0.00 0.00 60.37 58.77 1pbx h HIS 92 Cb 0.25 -0.06 -0.03 0.00 1.06 0.00 0.00 27.41 28.63 1pbx h HIS 92 CO 0.02 1.36 -1.11 0.43 0.86 0.00 0.00 177.93 179.49 1pbx n SER 93 N -3.98 1.85 -0.01 2.45 7.64 0.27 -1.85 113.62 120.00 1pbx n SER 93 Ca -0.13 0.48 0.00 0.00 1.01 0.00 0.00 58.87 60.23 1pbx n SER 93 Cb 0.88 -0.93 -0.12 0.00 -1.01 0.00 0.00 64.21 63.03 1pbx n SER 93 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1pbx n GLU 94 N -4.48 0.64 0.12 1.43 -0.58 0.26 -2.96 120.64 115.08 1pbx n GLU 94 Ca -0.26 0.08 -0.24 0.00 -0.42 0.00 0.00 57.16 56.32 1pbx n GLU 94 Cb 0.57 -1.68 -0.15 0.00 -0.57 0.00 0.00 31.44 29.61 1pbx n GLU 94 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 1pbx h LYS 95 N 0.00 0.51 0.00 3.49 3.64 -1.13 -3.40 116.57 119.68 1pbx h LYS 95 Ca -0.22 -0.84 -0.30 0.00 -1.27 0.00 0.00 60.65 58.02 1pbx h LYS 95 Cb 1.60 0.31 -0.05 0.00 -0.41 0.00 0.00 32.23 33.68 1pbx h LYS 95 CO 0.03 1.40 -1.76 1.28 -2.27 0.00 0.00 179.45 178.12 1pbx n LEU 96 N -3.81 0.80 -3.58 5.20 4.32 -0.60 -5.04 117.00 114.30 1pbx n LEU 96 Ca -0.16 0.38 -0.27 0.00 -0.02 0.00 0.00 56.01 55.94 1pbx n LEU 96 Cb 1.03 0.20 0.05 0.00 -1.62 0.00 0.00 43.42 43.08 1pbx n LEU 96 CO 0.58 0.40 -0.05 1.41 -1.22 0.00 0.00 177.39 178.51 1pbx n HIS 97 N -3.02 -2.05 -3.17 -1.77 8.25 -0.94 -4.99 115.22 107.54 1pbx n HIS 97 Ca -0.18 0.56 -0.40 0.00 -0.26 0.00 0.00 57.72 57.44 1pbx n HIS 97 Cb 1.06 -3.64 -0.07 0.00 1.12 0.00 0.00 29.99 28.46 1pbx n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1pbx s VAL 98 N -3.45 5.02 0.29 1.59 1.01 -0.77 -5.02 120.40 119.06 1pbx s VAL 98 Ca 0.46 0.99 -0.30 0.00 0.00 0.00 0.00 61.98 63.13 1pbx s VAL 98 Cb -0.14 -3.89 -0.12 0.00 0.00 0.00 0.00 36.38 32.23 1pbx s VAL 98 CO 0.83 0.04 1.45 -0.67 0.00 0.00 0.00 175.10 176.75 1pbx n ASP 99 N 5.65 3.22 0.26 3.32 -0.08 -1.26 -4.81 116.55 122.85 1pbx n ASP 99 Ca -0.02 1.16 0.17 0.00 -1.51 0.00 0.00 54.79 54.60 1pbx n ASP 99 Cb 0.49 -1.51 0.84 0.00 2.34 0.00 0.00 41.12 43.28 1pbx n ASP 99 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1pbx h PRO 100 N 3.97 0.00 -0.46 -0.67 0.10 -1.97 -1.67 132.00 131.30 1pbx h PRO 100 Ca -0.46 0.00 -0.04 0.00 0.10 0.00 0.00 66.00 65.60 1pbx h PRO 100 Cb 1.26 0.00 -0.02 0.00 0.10 0.00 0.00 31.00 32.33 1pbx h PRO 100 CO 0.73 0.00 0.14 -0.44 0.10 0.00 0.00 178.00 178.53 1pbx h ASP 101 N 0.00 0.62 -0.60 -2.05 5.19 -2.01 -2.36 116.42 115.22 1pbx h ASP 101 Ca 0.06 -0.09 0.05 0.00 -0.62 0.00 0.00 57.03 56.43 1pbx h ASP 101 Cb 0.68 -0.16 -0.03 0.00 0.18 0.00 0.00 39.33 39.99 1pbx h ASP 101 CO -0.00 0.60 0.40 0.78 -3.12 0.00 0.00 179.24 177.89 1pbx h ASN 102 N 0.66 0.55 -0.37 6.45 2.35 -1.65 -0.93 115.58 122.63 1pbx h ASN 102 Ca 0.15 -0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.89 1pbx h ASN 102 Cb 0.21 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.44 1pbx h ASN 102 CO -0.01 0.36 0.20 -0.26 -1.65 0.00 0.00 177.43 176.07 1pbx h PHE 103 N 0.63 0.52 0.00 1.19 0.04 -1.57 -0.32 116.94 117.42 1pbx h PHE 103 Ca 0.25 -0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.99 1pbx h PHE 103 Cb 0.20 -0.16 -0.00 0.00 2.20 0.00 0.00 35.95 38.19 1pbx h PHE 103 CO -0.00 0.41 -0.05 -0.22 -0.60 0.00 0.00 178.31 177.85 1pbx h LYS 104 N 0.47 0.00 -0.12 1.51 3.11 -1.22 -1.21 116.57 119.11 1pbx h LYS 104 Ca 0.13 0.00 -0.10 0.00 -2.81 0.00 0.00 60.65 57.87 1pbx h LYS 104 Cb 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.31 1pbx h LYS 104 CO -0.02 0.05 -0.32 -0.07 -2.81 0.00 0.00 179.45 176.29 1pbx h LEU 105 N 0.00 0.49 -0.34 5.20 3.38 -0.81 -2.20 115.31 121.02 1pbx h LEU 105 Ca -0.00 -0.59 -0.02 0.00 0.09 0.00 0.00 57.88 57.36 1pbx h LEU 105 Cb 0.10 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1pbx h LEU 105 CO 0.01 0.99 0.13 0.25 0.09 0.00 0.00 178.44 179.90 1pbx h LEU 106 N 0.01 0.48 -0.66 1.67 5.85 -0.50 -2.55 115.31 119.61 1pbx h LEU 106 Ca -0.01 -0.18 0.14 0.00 0.84 0.00 0.00 57.88 58.68 1pbx h LEU 106 Cb 0.93 -0.12 -0.10 0.00 0.37 0.00 0.00 40.66 41.73 1pbx h LEU 106 CO 0.07 0.53 0.11 0.28 -0.34 0.00 0.00 178.44 179.09 1pbx h SER 107 N 0.40 -0.07 0.12 1.25 0.02 -1.27 -1.19 113.55 112.82 1pbx h SER 107 Ca 0.11 0.14 -0.03 0.00 -0.84 0.00 0.00 61.79 61.17 1pbx h SER 107 Cb 0.20 0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.94 1pbx h SER 107 CO -0.01 -0.04 -0.14 0.44 -1.14 0.00 0.00 176.83 175.94 1pbx h ASP 108 N 0.22 0.03 -0.35 3.07 3.32 -1.00 -1.31 116.42 120.41 1pbx h ASP 108 Ca 0.36 -0.00 -0.14 0.00 0.02 0.00 0.00 57.03 57.27 1pbx h ASP 108 Cb 0.58 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.11 1pbx h ASP 108 CO -0.48 0.17 -0.29 0.00 -1.72 0.00 0.00 179.24 176.92 1pbx h ILE 110 N 0.74 1.21 -0.24 0.00 2.04 -0.83 0.14 117.51 120.56 1pbx h ILE 110 Ca 0.08 -0.67 0.04 0.00 1.00 0.00 0.00 64.86 65.31 1pbx h ILE 110 Cb 0.85 1.29 -0.03 0.00 -0.74 0.00 0.00 36.82 38.19 1pbx h ILE 110 CO 0.07 0.21 0.03 0.74 0.00 0.00 0.00 178.15 179.20 1pbx h THR 111 N 0.11 0.86 -0.00 -0.27 2.02 -1.09 0.24 112.91 114.78 1pbx h THR 111 Ca 0.06 -0.04 0.01 0.00 0.77 0.00 0.00 66.41 67.21 1pbx h THR 111 Cb 0.28 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 67.41 1pbx h THR 111 CO 0.00 0.02 -0.06 0.40 0.37 0.00 0.00 175.52 176.25 1pbx h ILE 112 N 0.12 0.85 -0.82 3.11 2.04 -0.76 0.68 117.51 122.72 1pbx h ILE 112 Ca 0.11 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.96 1pbx h ILE 112 Cb 0.13 0.85 -0.04 0.00 -0.74 0.00 0.00 36.82 37.01 1pbx h ILE 112 CO -0.17 0.00 0.47 0.58 0.00 0.00 0.00 178.15 179.04 1pbx h VAL 113 N -0.10 1.23 -0.52 1.67 2.07 -0.30 -2.67 116.25 117.63 1pbx h VAL 113 Ca 0.03 -0.54 -0.11 0.00 0.82 0.00 0.00 66.70 66.90 1pbx h VAL 113 Cb 0.13 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 29.98 1pbx h VAL 113 CO -0.06 0.25 -0.10 0.25 0.02 0.00 0.00 177.57 177.93 1pbx h LEU 114 N 1.14 0.96 -1.34 2.57 5.85 0.02 -2.81 115.31 121.70 1pbx h LEU 114 Ca 0.29 -0.30 0.02 0.00 0.84 0.00 0.00 57.88 58.73 1pbx h LEU 114 Cb -0.01 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.72 1pbx h LEU 114 CO -0.05 1.07 0.46 0.00 -0.34 0.00 0.00 178.44 179.58 1pbx h ALA 115 N 1.02 1.56 0.02 1.25 0.00 0.67 0.12 119.26 123.90 1pbx h ALA 115 Ca 0.14 -0.04 -0.21 0.00 0.00 0.00 0.00 54.91 54.80 1pbx h ALA 115 Cb 0.64 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1pbx h ALA 115 CO 0.04 0.38 -0.96 0.00 0.00 0.00 0.00 179.25 178.72 1pbx h ALA 116 N 1.58 0.43 -0.01 0.00 0.00 -1.36 0.32 119.26 120.24 1pbx h ALA 116 Ca 0.27 -0.82 -0.06 0.00 0.00 0.00 0.00 54.91 54.30 1pbx h ALA 116 Cb -0.01 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1pbx h ALA 116 CO -0.07 1.08 -0.23 -0.22 0.00 0.00 0.00 179.25 179.82 1pbx h LYS 117 N 0.03 0.16 0.00 0.00 3.64 -1.24 -3.29 116.57 115.88 1pbx h LYS 117 Ca -0.03 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 59.18 1pbx h LYS 117 Cb 1.65 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.52 1pbx h LYS 117 CO 0.13 0.90 0.00 0.52 -2.27 0.00 0.00 179.45 178.73 1pbx h MET 118 N -0.50 0.00 0.00 1.90 2.86 -0.78 -3.49 114.93 114.91 1pbx h MET 118 Ca -0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1pbx h MET 118 Cb 0.97 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.63 1pbx h MET 118 CO 0.04 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.42 1pbx n GLY 119 N 1.06 3.10 0.01 8.32 0.00 0.10 -2.60 105.19 115.18 1pbx n GLY 119 Ca 0.05 -0.31 0.08 0.00 0.00 0.00 0.00 46.02 45.84 1pbx n GLY 119 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1pbx n HIS 120 N 14.00 0.07 0.19 1.61 8.25 -1.26 -2.54 115.22 135.54 1pbx n HIS 120 Ca 0.00 0.03 0.06 0.00 -0.26 0.00 0.00 57.72 57.54 1pbx n HIS 120 Cb 0.00 -0.55 0.31 0.00 1.12 0.00 0.00 29.99 30.88 1pbx n HIS 120 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1pbx h ALA 121 N 2.54 0.96 -0.21 -1.41 0.00 -1.89 -3.35 119.26 115.90 1pbx h ALA 121 Ca 0.00 -0.34 -0.67 0.00 0.00 0.00 0.00 54.91 53.89 1pbx h ALA 121 Cb 0.29 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1pbx h ALA 121 CO 0.00 0.47 2.69 0.34 0.00 0.00 0.00 179.25 182.75 1pbx n PHE 122 N -3.48 3.47 -1.22 0.00 7.35 -1.05 -4.86 117.46 117.66 1pbx n PHE 122 Ca 0.00 -2.68 -0.29 0.00 -0.76 0.00 0.00 57.45 53.72 1pbx n PHE 122 Cb 0.53 -2.44 0.15 0.00 0.35 0.00 0.00 39.48 38.06 1pbx n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1pbx s THR 123 N 4.15 2.49 0.23 -2.13 -4.23 -1.26 -4.67 115.64 110.22 1pbx s THR 123 Ca 0.51 0.16 -0.08 0.00 -1.18 0.00 0.00 61.69 61.10 1pbx s THR 123 Cb 0.11 -2.66 0.19 0.00 1.34 0.00 0.00 72.50 71.48 1pbx s THR 123 CO -0.01 -0.21 1.88 0.00 -0.54 0.00 0.00 174.62 175.74 1pbx h ALA 124 N -1.63 1.09 -0.20 3.99 0.00 -1.94 1.12 119.26 121.70 1pbx h ALA 124 Ca -0.51 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.32 1pbx h ALA 124 Cb 1.30 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1pbx h ALA 124 CO 0.56 0.38 -0.04 1.49 0.00 0.00 0.00 179.25 181.64 1pbx h GLU 125 N 1.06 0.38 -0.90 0.00 4.81 -1.97 0.35 114.58 118.31 1pbx h GLU 125 Ca 0.33 -0.14 -0.00 0.00 -0.13 0.00 0.00 59.36 59.41 1pbx h GLU 125 Cb -0.02 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.30 1pbx h GLU 125 CO -0.11 0.63 0.54 1.15 -0.73 0.00 0.00 179.01 180.49 1pbx h THR 126 N 0.11 1.25 -0.75 0.32 2.02 -1.75 -1.60 112.91 112.51 1pbx h THR 126 Ca 0.05 -0.53 -0.01 0.00 0.77 0.00 0.00 66.41 66.69 1pbx h THR 126 Cb 0.48 -0.02 -0.04 0.00 -1.74 0.00 0.00 68.15 66.83 1pbx h THR 126 CO 0.02 0.26 0.43 -0.61 0.37 0.00 0.00 175.52 175.98 1pbx h GLN 127 N 1.23 1.03 -0.02 6.66 4.15 0.19 -2.76 115.11 125.60 1pbx h GLN 127 Ca 0.32 -0.11 0.00 0.00 0.77 0.00 0.00 58.65 59.63 1pbx h GLN 127 Cb -0.06 -0.21 -0.00 0.00 0.21 0.00 0.00 27.48 27.42 1pbx h GLN 127 CO -0.06 0.75 0.01 0.78 -1.93 0.00 0.00 178.83 178.38 1pbx h GLY 128 N 1.02 0.03 0.92 2.39 0.00 -0.31 0.15 103.07 107.28 1pbx h GLY 128 Ca 0.26 -0.01 0.01 0.00 0.00 0.00 0.00 47.33 47.60 1pbx h GLY 128 CO -0.05 0.01 0.13 0.00 0.00 0.00 0.00 176.54 176.64 1pbx h ALA 129 N 1.01 0.30 -0.71 3.60 0.00 -1.23 -1.19 119.26 121.03 1pbx h ALA 129 Ca 0.01 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1pbx h ALA 129 Cb -0.00 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1pbx h ALA 129 CO -0.00 -0.26 0.38 0.35 0.00 0.00 0.00 179.25 179.71 1pbx h PHE 130 N 0.28 0.97 -0.07 0.00 3.57 -1.37 -1.29 116.94 119.03 1pbx h PHE 130 Ca 0.10 -0.02 -0.17 0.00 3.53 0.00 0.00 57.97 61.40 1pbx h PHE 130 Cb 0.01 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 38.43 1pbx h PHE 130 CO -0.09 0.69 -0.70 1.96 -2.23 0.00 0.00 178.31 177.94 1pbx h GLN 131 N 0.99 0.32 -0.07 1.11 4.20 -0.69 -1.00 115.11 119.97 1pbx h GLN 131 Ca 0.25 -0.26 0.01 0.00 0.06 0.00 0.00 58.65 58.71 1pbx h GLN 131 Cb 0.05 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 1pbx h GLN 131 CO -0.04 0.90 0.01 -0.22 -0.67 0.00 0.00 178.83 178.81 1pbx h LYS 132 N 0.22 0.04 -0.15 1.46 3.64 -0.51 0.83 116.57 122.10 1pbx h LYS 132 Ca -0.02 -0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.40 1pbx h LYS 132 Cb 1.26 -0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 33.01 1pbx h LYS 132 CO 0.11 0.03 -0.35 0.35 -2.27 0.00 0.00 179.45 177.32 1pbx h PHE 133 N 0.04 -0.98 0.00 1.91 3.57 -1.12 -0.52 116.94 119.84 1pbx h PHE 133 Ca 0.03 0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.53 1pbx h PHE 133 Cb 0.03 0.45 -0.01 0.00 2.79 0.00 0.00 35.95 39.21 1pbx h PHE 133 CO -0.11 -0.42 -0.21 -0.07 -2.23 0.00 0.00 178.31 175.27 1pbx h LEU 134 N -0.42 0.00 0.63 0.59 3.38 -0.86 0.98 115.31 119.62 1pbx h LEU 134 Ca 0.09 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 1pbx h LEU 134 Cb 0.57 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.33 1pbx h LEU 134 CO -0.38 0.21 -0.30 0.00 0.09 0.00 0.00 178.44 178.06 1pbx h ALA 135 N 1.79 -0.85 -0.28 1.53 0.00 -0.14 0.11 119.26 121.42 1pbx h ALA 135 Ca -0.00 -0.21 0.06 0.00 0.00 0.00 0.00 54.91 54.76 1pbx h ALA 135 Cb 0.39 0.33 -0.06 0.00 0.00 0.00 0.00 17.79 18.45 1pbx h ALA 135 CO 0.03 -0.89 -0.12 0.28 0.00 0.00 0.00 179.25 178.55 1pbx h VAL 136 N -1.02 0.62 0.00 0.00 2.07 -0.99 0.12 116.25 117.05 1pbx h VAL 136 Ca -0.09 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.38 1pbx h VAL 136 Cb 0.69 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 1pbx h VAL 136 CO 0.14 0.00 -0.23 1.62 0.02 0.00 0.00 177.57 179.12 1pbx h VAL 137 N -0.07 0.77 -0.15 2.57 3.04 -0.68 -2.58 116.25 119.14 1pbx h VAL 137 Ca 0.14 -0.95 -0.13 0.00 -1.01 0.00 0.00 66.70 64.76 1pbx h VAL 137 Cb 0.29 1.58 -0.01 0.00 -2.01 0.00 0.00 31.29 31.14 1pbx h VAL 137 CO -0.33 0.23 -0.46 0.58 -1.01 0.00 0.00 177.57 176.58 1pbx h VAL 138 N 0.00 1.32 -0.48 1.51 2.07 0.76 -2.47 116.25 118.96 1pbx h VAL 138 Ca -0.00 -1.65 0.01 0.00 0.82 0.00 0.00 66.70 65.88 1pbx h VAL 138 Cb 0.56 1.70 -0.03 0.00 -1.52 0.00 0.00 31.29 32.01 1pbx h VAL 138 CO 0.03 0.50 0.30 0.28 0.02 0.00 0.00 177.57 178.71 1pbx h SER 139 N 0.31 0.51 0.50 0.57 0.02 -0.46 -2.83 113.55 112.18 1pbx h SER 139 Ca 0.02 -0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 60.93 1pbx h SER 139 Cb 0.93 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.34 1pbx h SER 139 CO 0.08 0.37 -0.18 0.00 -1.14 0.00 0.00 176.83 175.95 1pbx h ALA 140 N 1.19 1.23 0.00 3.77 0.00 -1.12 0.30 119.26 124.63 1pbx h ALA 140 Ca 0.18 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1pbx h ALA 140 Cb -0.03 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1pbx h ALA 140 CO -0.06 0.23 -0.26 -0.07 0.00 0.00 0.00 179.25 179.09 1pbx h LEU 141 N 0.00 0.00 0.00 0.00 3.38 -1.20 -3.38 115.31 114.11 1pbx h LEU 141 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1pbx h LEU 141 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1pbx h LEU 141 CO 0.02 0.19 -0.63 0.61 0.09 0.00 0.00 178.44 178.73 1pbx n GLY 142 N 1.15 -0.77 0.00 0.83 0.00 -1.16 -4.30 105.19 100.94 1pbx n GLY 142 Ca 0.03 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1pbx n GLY 142 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1pbx n LYS 143 N -4.33 0.00 0.22 1.61 2.85 0.10 0.14 118.16 118.76 1pbx n LYS 143 Ca -0.09 0.00 0.13 0.00 -1.05 0.00 0.00 58.31 57.30 1pbx n LYS 143 Cb 0.33 0.00 0.27 0.00 -0.65 0.00 0.00 35.03 34.98 1pbx n LYS 143 CO 0.00 0.00 0.00 -0.56 -0.05 0.00 0.00 177.40 176.79 1pbx h GLN 144 N 0.00 0.00 -5.09 -1.58 -0.00 -1.87 -3.43 115.11 103.14 1pbx h GLN 144 Ca 0.00 0.00 -0.66 0.00 -0.00 0.00 0.00 58.65 57.99 1pbx h GLN 144 Cb 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 27.48 27.18 1pbx h GLN 144 CO 0.00 0.00 -0.78 0.71 -0.00 0.00 0.00 178.83 178.76 1pbx s TYR 145 N -3.29 2.85 0.00 0.06 2.02 0.38 -5.14 117.35 114.24 1pbx s TYR 145 Ca 0.06 -1.12 0.00 0.00 -0.37 0.00 0.00 57.07 55.64 1pbx s TYR 145 Cb 0.06 -1.97 0.00 0.00 -0.40 0.00 0.00 41.96 39.65 1pbx s TYR 145 CO 0.64 -0.57 0.00 -2.39 -1.57 0.00 0.00 175.55 171.67